(8aS)-2-(3-methylcyclopentyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C12H21N3O — CID 144914049

IUPAC(8aS)-2-(3-methylcyclopentyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC1CCC(N2C[C@@H]3CNCCN3C2=O)C1
InChIInChI=1S/C12H21N3O/c1-9-2-3-10(6-9)15-8-11-7-13-4-5-14(11)12(15)16/h9-11,13H,2-8H2,1H3/t9?,10?,11-/m0/s1
InChIKeyQNNZOWVGCDYJED-ILDUYXDCSA-N
MW223.32 g/mol
LogP0.88
Rot. Bonds1

About (8aS)-2-(3-methylcyclopentyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

(8aS)-2-(3-methylcyclopentyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 144914049) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (8aS)-2-(3-methylcyclopentyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aS)-2-(3-methylcyclopentyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID144914049
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(8aS)-2-(3-methylcyclopentyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC1CCC(N2C[C@@H]3CNCCN3C2=O)C1
InChIInChI=1S/C12H21N3O/c1-9-2-3-10(6-9)15-8-11-7-13-4-5-14(11)12(15)16/h9-11,13H,2-8H2,1H3/t9?,10?,11-/m0/s1
InChIKeyQNNZOWVGCDYJED-ILDUYXDCSA-N
XLogP0.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (8aS)-2-(3-methylcyclopentyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

cis-(1R,2S)-2-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]cyclopentane-1-carboxylic acid
CID 118354117
6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane
CID 114550967
2-pentyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091777
(2S)-2-methyl-1-(3-methylcyclopentyl)piperazine;hydrochloride
CID 131203778
1-cyclopropyl-3-piperidin-3-ylimidazolidin-2-one;hydrochloride
CID 118115296
2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride
CID 86811793
2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 106729433
2-nonyl-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione
CID 80725764
2-(3-hydroxypropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092085
1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one
CID 96631898
4-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)cubane-1-carboxylic acid
CID 174200387
2-[(4-ethylphenyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092227

Frequently Asked Questions

What is the IUPAC name of (8aS)-2-(3-methylcyclopentyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aS)-2-(3-methylcyclopentyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 144914049) is (8aS)-2-(3-methylcyclopentyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aS)-2-(3-methylcyclopentyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aS)-2-(3-methylcyclopentyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CC1CCC(N2C[C@@H]3CNCCN3C2=O)C1.
What is the InChIKey of (8aS)-2-(3-methylcyclopentyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is QNNZOWVGCDYJED-ILDUYXDCSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-2-3-10(6-9)15-8-11-7-13-4-5-14(11)12(15)16/h9-11,13H,2-8H2,1H3/t9?,10?,11-/m0/s1.
What are the key properties of (8aS)-2-(3-methylcyclopentyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
(8aS)-2-(3-methylcyclopentyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 223.32 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2-(3-methylcyclopentyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 144914049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).